N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide

C19H22N2O3 — CID 110793670

IUPACN-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1cc(C)c(CNC(=O)CNC(=O)c2ccccc2)cc1C
InChIInChI=1S/C19H22N2O3/c1-13-10-17(24-3)14(2)9-16(13)11-20-18(22)12-21-19(23)15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyTWSOGOGUSBPHEP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.36
Rot. Bonds6

About N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide

N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 110793670) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID110793670
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1cc(C)c(CNC(=O)CNC(=O)c2ccccc2)cc1C
InChIInChI=1S/C19H22N2O3/c1-13-10-17(24-3)14(2)9-16(13)11-20-18(22)12-21-19(23)15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyTWSOGOGUSBPHEP-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780829
N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide
CID 110792956
N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9246288
N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide
CID 110794193
N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide
CID 110794339
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-oxobutanamide
CID 115176376
N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 41309387
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110793668
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
3,4,5-trimethoxy-N-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30855829
N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide
CID 36936630

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide (CID 110793670) is N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide is COc1cc(C)c(CNC(=O)CNC(=O)c2ccccc2)cc1C.
What is the InChIKey of N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is TWSOGOGUSBPHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-10-17(24-3)14(2)9-16(13)11-20-18(22)12-21-19(23)15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide?
N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 110793670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).